UCSF

ZINC20434361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.45 -4.08 -45.63 4 6 1 78 244.315 4
Hi High (pH 8-9.5) -1.45 -5.46 -12.94 3 6 0 74 243.307 4
Mid Mid (pH 6-8) -1.45 -1.73 -98.76 5 6 2 80 245.323 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )